1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C23H29N3O5S — CID 53025616

About 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 53025616) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

• Compound Name: 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
• PubChem CID: 53025616
• Molecular Formula: C23H29N3O5S
• Molecular Weight: 459.57 g/mol
• Exact Mass: 459.18
• IUPAC Name: 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
• SMILES: O=C(CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21)N1CCCCCC1
• InChI: InChI=1S/C23H29N3O5S/c27-22(25-12-3-1-2-4-13-25)9-10-23(28)26-14-11-18-16-20(7-8-21(18)26)32(29,30)24-17-19-6-5-15-31-19/h5-8,15-16,24H,1-4,9-14,17H2
• InChIKey: LWOOGIRYUMUPJU-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.57
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?

The IUPAC name of 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 53025616) is 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

What is the SMILES notation for 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?

The canonical SMILES for 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is O=C(CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccco3)ccc21)N1CCCCCC1.

What is the InChIKey of 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?

The InChIKey is LWOOGIRYUMUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S/c27-22(25-12-3-1-2-4-13-25)9-10-23(28)26-14-11-18-16-20(7-8-21(18)26)32(29,30)24-17-19-6-5-15-31-19/h5-8,15-16,24H,1-4,9-14,17H2.

What are the key properties of 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?

1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 459.57 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53025616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).